4-methoxy-N-(2-methoxyethyl)-3-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]benzenesulfonamide

C24H33N3O8S — CID 46088510

IUPAC4-methoxy-N-(2-methoxyethyl)-3-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(OC)c(N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c1
InChIInChI=1S/C24H33N3O8S/c1-31-13-8-25-36(29,30)18-6-7-20(32-2)19(16-18)26-9-11-27(12-10-26)24(28)17-14-21(33-3)23(35-5)22(15-17)34-4/h6-7,14-16,25H,8-13H2,1-5H3
InChIKeyJUKWMRLJUWYWQC-UHFFFAOYSA-N
MW523.61 g/mol
LogP1.61
Rot. Bonds11

About 4-methoxy-N-(2-methoxyethyl)-3-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]benzenesulfonamide

4-methoxy-N-(2-methoxyethyl)-3-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]benzenesulfonamide (PubChem CID 46088510) has the molecular formula C24H33N3O8S and a molecular weight of 523.61 g/mol. Its IUPAC name is 4-methoxy-N-(2-methoxyethyl)-3-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(2-methoxyethyl)-3-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]benzenesulfonamide
PubChem CID46088510
Molecular FormulaC24H33N3O8S
Molecular Weight523.61 g/mol
Exact Mass523.20
IUPAC Name4-methoxy-N-(2-methoxyethyl)-3-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(OC)c(N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c1
InChIInChI=1S/C24H33N3O8S/c1-31-13-8-25-36(29,30)18-6-7-20(32-2)19(16-18)26-9-11-27(12-10-26)24(28)17-14-21(33-3)23(35-5)22(15-17)34-4/h6-7,14-16,25H,8-13H2,1-5H3
InChIKeyJUKWMRLJUWYWQC-UHFFFAOYSA-N
XLogP1.61
TPSA115.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.61
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 46088867
N-(2-methoxyethyl)-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55566298
4-(4-acetylpiperazine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 34840068
4-methoxy-N-(2-methoxyethyl)-3-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]benzenesulfonamide
CID 46088866
3-[4-(3-cyanobenzoyl)piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide
CID 46088660
3-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide
CID 46088491
N-(2-methoxyethyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 55565689
N-(2-methoxyethyl)-4-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide
CID 55956569
3-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)benzenesulfonamide
CID 56511421
4-methoxy-N-[2-(5-methoxynaphthalen-1-yl)ethyl]-3-[4-(2,2,2-trichloroacetyl)piperazin-1-yl]benzenesulfonamide
CID 126511103
3-bromo-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 2880554
3-[4-(2-chloro-5-fluorobenzoyl)piperazin-1-yl]-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 46088739

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methoxyethyl)-3-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(2-methoxyethyl)-3-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]benzenesulfonamide (CID 46088510) is 4-methoxy-N-(2-methoxyethyl)-3-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(2-methoxyethyl)-3-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(2-methoxyethyl)-3-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]benzenesulfonamide is COCCNS(=O)(=O)c1ccc(OC)c(N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c1.
What is the InChIKey of 4-methoxy-N-(2-methoxyethyl)-3-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]benzenesulfonamide?
The InChIKey is JUKWMRLJUWYWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O8S/c1-31-13-8-25-36(29,30)18-6-7-20(32-2)19(16-18)26-9-11-27(12-10-26)24(28)17-14-21(33-3)23(35-5)22(15-17)34-4/h6-7,14-16,25H,8-13H2,1-5H3.
What are the key properties of 4-methoxy-N-(2-methoxyethyl)-3-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]benzenesulfonamide?
4-methoxy-N-(2-methoxyethyl)-3-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]benzenesulfonamide has a molecular weight of 523.61 g/mol, XLogP of 1.61, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methoxyethyl)-3-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 46088510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).